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cpmdplugin.c File Reference

#include "largefiles.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include "molfile_plugin.h"
#include "unit_conversion.h"

Go to the source code of this file.

Compounds

struct  cpmddata

Functions

void * open_cpmd_read (const char *filename, const char *filetype, int *natoms)
int read_cpmd_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int read_cpmd_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void close_cpmd_read (void *mydata)
VMDPLUGIN_API int VMDPLUGIN_init ()
VMDPLUGIN_API int VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)
VMDPLUGIN_API int VMDPLUGIN_fini ()

Variables

molfile_plugin_t plugin


Function Documentation

void close_cpmd_read void *    mydata [static]
 

Definition at line 165 of file cpmdplugin.c.

References cpmddata::file.

Referenced by VMDPLUGIN_init.

void* open_cpmd_read const char *    filename,
const char *    filetype,
int *    natoms
[static]
 

Definition at line 32 of file cpmdplugin.c.

References cpmddata::file, cpmddata::file_name, and cpmddata::numatoms.

Referenced by VMDPLUGIN_init.

int read_cpmd_structure void *    mydata,
int *    optflags,
molfile_atom_t   atoms
[static]
 

Definition at line 84 of file cpmdplugin.c.

References molfile_atom_t::chain, cpmddata::file, cpmddata::file_name, MOLFILE_ERROR, MOLFILE_NOOPTIONS, molfile_atom_t::name, cpmddata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type.

int read_cpmd_timestep void *    mydata,
int    natoms,
molfile_timestep_t   ts
[static]
 

Definition at line 124 of file cpmdplugin.c.

References BOHR_TO_ANGS, molfile_timestep_t::coords, cpmddata::file, cpmddata::file_name, and MOLFILE_ERROR.

Referenced by VMDPLUGIN_init.

VMDPLUGIN_API int VMDPLUGIN_fini void   
 

Definition at line 198 of file cpmdplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 175 of file cpmdplugin.c.

References close_cpmd_read, molfile_plugin_t::close_file_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, open_cpmd_read, molfile_plugin_t::open_file_read, read_cpmd_timestep, molfile_plugin_t::read_next_timestep, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADSAFE.

VMDPLUGIN_API int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 193 of file cpmdplugin.c.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t plugin [static]
 

Definition at line 173 of file cpmdplugin.c.


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